- InChI
- InChI=1S/C27H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-31-26(29)16-15-17-27(30)32-25-20-18-24(23-28)19-21-25/h18-21H,2-17,22H2,1H3
- InChI Key
- QMDVVXJDKFBDKQ-UHFFFAOYSA-N
- Formula
- C27H41NO4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCC(=O)O
c1ccc(C#N)cc1 - Molecular Weight1
- 443.62
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -55.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -700.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.42 | kJ/mol | Joback Calculated Property |
| log10WS | -8.54 | Crippen Calculated Property | |
| logPoct/wat | 7.268 | Crippen Calculated Property | |
| McVol | 383.790 | ml/mol | McGowan Calculated Property |
| Pc | 851.47 | kPa | Joback Calculated Property |
| Inp | 3529.00 | NIST | |
| Tboil | 1103.48 | K | Joback Calculated Property |
| Tc | 1359.96 | K | Joback Calculated Property |
| Tfus | 642.30 | K | Joback Calculated Property |
| Vc | 1.514 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1325.33; 1385.36] | J/mol×K | [1103.48; 1359.96] | 
|
| Cp,gas | 1325.33 | J/mol×K | 1103.48 | Joback Calculated Property |
| Cp,gas | 1339.73 | J/mol×K | 1146.23 | Joback Calculated Property |
| Cp,gas | 1352.26 | J/mol×K | 1188.97 | Joback Calculated Property |
| Cp,gas | 1363.01 | J/mol×K | 1231.72 | Joback Calculated Property |
| Cp,gas | 1372.05 | J/mol×K | 1274.47 | Joback Calculated Property |
| Cp,gas | 1379.47 | J/mol×K | 1317.22 | Joback Calculated Property |
| Cp,gas | 1385.36 | J/mol×K | 1359.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 4-cyanophenyl pentadecyl ester.
Sources
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